Cas no 100282-95-9 (1,2,5-Thiadiazole, 3-fluoro-4-phenyl-)
100282-95-9 structure
Product Name:1,2,5-Thiadiazole, 3-fluoro-4-phenyl-
CAS No:100282-95-9
MF:C8H5FN2S
MW:180.202103376389
CID:1125251
Update Time:2024-07-27
1,2,5-Thiadiazole, 3-fluoro-4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1,2,5-Thiadiazole, 3-fluoro-4-phenyl-
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- Inchi： 1S/C8H5FN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
- InChI Key： RGNKNZUHRDEGTM-UHFFFAOYSA-N
- SMILES： S1N=C(C2=CC=CC=C2)C(F)=N1
Computed Properties
- Exact Mass: 180.01585
Experimental Properties
- Density: 1.336±0.06 g/cm3(Predicted)
- Boiling Point: 262.6±20.0 °C(Predicted)
- PSA: 25.78
- pka: -3.34±0.30(Predicted)
1,2,5-Thiadiazole, 3-fluoro-4-phenyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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